2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid

C15H23N3O3 — CID 106813559

IUPAC2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(CNCC(=O)O)C2)n1C
InChIInChI=1S/C15H23N3O3/c1-11-5-6-13(17(11)2)15(21)18-7-3-4-12(10-18)8-16-9-14(19)20/h5-6,12,16H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyNAXIBRCCZIGYEA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.86
Rot. Bonds5

About 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813559) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813559
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(CNCC(=O)O)C2)n1C
InChIInChI=1S/C15H23N3O3/c1-11-5-6-13(17(11)2)15(21)18-7-3-4-12(10-18)8-16-9-14(19)20/h5-6,12,16H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyNAXIBRCCZIGYEA-UHFFFAOYSA-N
XLogP0.86
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813533
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
2-[[1-(4,5-dibromothiophene-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813685
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189
2-[4-(1,5-dimethylpyrrole-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824459
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid (CID 106813559) is 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid is Cc1ccc(C(=O)N2CCCC(CNCC(=O)O)C2)n1C.
What is the InChIKey of 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is NAXIBRCCZIGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-5-6-13(17(11)2)15(21)18-7-3-4-12(10-18)8-16-9-14(19)20/h5-6,12,16H,3-4,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).